SCHEMBL7273501

SCHEMBL7273501

C[C@H](NC1(C(=O)OCc2ccccc2)CCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTSK P43235 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8153063 1.00 CTSL (0.49) CTSLCTSBCTSSDDB1CRBN
SCHEMBL7275326 0.91 CTSL (0.48) CTSLCTSBCTSSDDB1CRBN
SCHEMBL15461488 0.91 CTSL (0.52) CTSLCTSBCTSSDDB1CRBN
SCHEMBL15461470 0.89 CTSB (0.50) CTSLCTSBCTSSDDB1CRBN
SCHEMBL7275909 0.87 CTSS (0.40) CTSLCTSBCTSSDDB1CRBN
SCHEMBL7267638 0.86 CTSB (0.48) CTSLCTSBCTSSDDB1CRBN
SCHEMBL7276396 0.85 CTSB (0.47) CTSLCTSBCTSSDDB1CRBN
SCHEMBL7429160 0.85 MME (0.43) CTSLCTSBCTSSALDH1A1
SCHEMBL12661032 0.82 CTSL (0.54) CTSLCTSBCTSSDDB1CRBN
SCHEMBL13177736 0.82 CTSL (0.54) CTSLCTSBCTSSDDB1CRBN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
EP-0272583-B1 5-SUBSTITUTED AMINO-4-HYDROXY-PENTENOIC ACID DERIVATIVES AND THEIR USE Banyu Pharmaceutical Co., Ltd. (JP) 1993-09-15 EP disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 EP disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed